V011-5844 Screening compound: ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

V011-5844 Screening compound: ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
V011-5844 Screening compound: ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5844
ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V011-5844

Molecular Formula

C21H21Cl2N3O2S (C21 H21 Cl2 N3 O2 S)

Compound Name

ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate

IUPAC name

ethyl 2-{[45-bis(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}pentanoate

SMILES

CCCC(C(OCC)=O)Sc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-3-9-18(20(27)28-4-2)29-21-25-24-19(14-10-5-6-11-15(14)22)26(21)17-13-8-7-12-16(17)23/h5-8,10-13,18H,3-4,9H2,1-2H3/t18-/m0/s1

InChI Key

VMTCYTGEVBMLHK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19844406

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.146

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-5.89

Polar Surface Area

45.437

Acid Dissociation Constant (pKa)

17.28

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

V011-5844 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-5844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5844?
Check Price and Availability of V011-5844, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V011-5844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5844
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V011-5844 available by request